6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C20H20N6 — CID 122425052

IUPAC6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)cc(-n3c(C)nc4ccc(C)cc43)n2)cc1
InChIInChI=1S/C20H20N6/c1-12-4-7-15(8-5-12)23-20-24-18(21)11-19(25-20)26-14(3)22-16-9-6-13(2)10-17(16)26/h4-11H,1-3H3,(H3,21,23,24,25)
InChIKeyNAQTYDYQOONZIX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.07
Rot. Bonds3

About 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 122425052) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID122425052
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)cc(-n3c(C)nc4ccc(C)cc43)n2)cc1
InChIInChI=1S/C20H20N6/c1-12-4-7-15(8-5-12)23-20-24-18(21)11-19(25-20)26-14(3)22-16-9-6-13(2)10-17(16)26/h4-11H,1-3H3,(H3,21,23,24,25)
InChIKeyNAQTYDYQOONZIX-UHFFFAOYSA-N
XLogP4.07
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 122425052) is 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)cc(-n3c(C)nc4ccc(C)cc43)n2)cc1.
What is the InChIKey of 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is NAQTYDYQOONZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-12-4-7-15(8-5-12)23-20-24-18(21)11-19(25-20)26-14(3)22-16-9-6-13(2)10-17(16)26/h4-11H,1-3H3,(H3,21,23,24,25).
What are the key properties of 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122425052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).